Mrv0541 02241204352D          

  5  4  0  0  0  0            999 V2000
    0.8252    1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377    0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8252    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    1.2377   -0.7147    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1545

> <DATABASE_NAME>
t3db

> <SMILES>
CC[Al](Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C2H5.Al.2ClH/c1-2;;;/h1H2,2H3;;2*1H/q;+2;;/p-2

> <INCHI_KEY>
UAIZDWNSWGTKFZ-UHFFFAOYSA-L

> <FORMULA>
C2H5AlCl2

> <MOLECULAR_WEIGHT>
126.949

> <EXACT_MASS>
125.958369015

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
11.17444219999297

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloro(ethyl)alumane

> <ALOGPS_LOGP>
2.41

> <JCHEM_LOGP>
1.9528

> <ALOGPS_LOGS>
-1.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
22.883899999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.89e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethylaluminium dichloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1545

> <NAME>
Dichloroethylaluminum

> <CAS>
563-43-9

> <SYNONYMS>
Dichloro(ethyl)aluminium; Dichloro(ethyl)aluminum; Dichloromonoethylaluminum; Ethyl aluminum dichloride; Ethyl aluminum sesquichloride; Ethylaluminium dichloride; Ethylaluminum dichloride; Ethylaluminum dichloride solution; Ethyldichloroaluminum

> <TYPES>
Organic Compound; Aluminum Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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